6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine

C15H25NO — CID 96595185

IUPAC6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
SMILESCOc1cc(C)c(CCCCCCN)cc1C
InChIInChI=1S/C15H25NO/c1-12-11-15(17-3)13(2)10-14(12)8-6-4-5-7-9-16/h10-11H,4-9,16H2,1-3H3
InChIKeyRQEDTURJUGBJEH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.37
Rot. Bonds7

About 6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine

6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine (PubChem CID 96595185) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine.

Molecular Properties

Compound Name6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
PubChem CID96595185
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
SMILESCOc1cc(C)c(CCCCCCN)cc1C
InChIInChI=1S/C15H25NO/c1-12-11-15(17-3)13(2)10-14(12)8-6-4-5-7-9-16/h10-11H,4-9,16H2,1-3H3
InChIKeyRQEDTURJUGBJEH-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine
CID 83927771
4-(4-tert-butyl-5-methoxy-2-methylphenyl)butan-1-amine
CID 117377717
N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine
CID 115201196
5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
CID 93185741
6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol
CID 98016089
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
5-(4-methoxy-2,5-dimethylphenyl)-2-methylpentan-2-ol
CID 94686940
6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine
CID 115485082
4-(5-methoxy-2-methylphenyl)butan-1-amine
CID 66581549
3-(5-methoxy-4-methyl-2-methylsulfonylphenyl)propan-1-amine
CID 117397136

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine?
The IUPAC name of 6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine (CID 96595185) is 6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine.
What is the SMILES notation for 6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine?
The canonical SMILES for 6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine is COc1cc(C)c(CCCCCCN)cc1C.
What is the InChIKey of 6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine?
The InChIKey is RQEDTURJUGBJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-11-15(17-3)13(2)10-14(12)8-6-4-5-7-9-16/h10-11H,4-9,16H2,1-3H3.
What are the key properties of 6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine?
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine is sourced from PubChem (CID 96595185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).